1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine

C15H23N3O — CID 111604779

IUPAC1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NCc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O/c1-16-15(17-10-9-12-3-4-12)18-11-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyUMEPHLMUMNKBAL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds6

About 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine

1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine (PubChem CID 111604779) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
PubChem CID111604779
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NCc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O/c1-16-15(17-10-9-12-3-4-12)18-11-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyUMEPHLMUMNKBAL-UHFFFAOYSA-N
XLogP2.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111183724
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968475
1-[2-(cyclopropylmethoxy)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111762055
1-(2-cyclopropylethyl)-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111604741
tert-butyl 3-[2-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]piperidine-1-carboxylate;hydroiodide
CID 111799539
2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111869260
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111181887
1-[3-(4-methoxyphenoxy)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182264
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978210
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111794203
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183623

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine (CID 111604779) is 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine is C/N=C(\NCCC1CC1)NCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine?
The InChIKey is UMEPHLMUMNKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-15(17-10-9-12-3-4-12)18-11-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine?
1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine has a molecular weight of 261.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111604779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).